Geometry & MOs

Info

ID:	143956
PubChem CID:	53287838
Reduced:	ClSN2O3C22H29 (1)
Stoich.:	ABC2D3E22F29 (1)
Weight, g/mol:	404.081776
ΔH_f, kcal/mol:	-132.87
Dipole, Da:	7.28
IP(EA), eV:	-9.01(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)NC(=O)CCCN(C2=C(C(=CC=C2)Cl)C)S(=O)(=O)C)C

DOS

IR

Vibrations